Change Operator.eval() -> Operator.__call__()

openmc/deplete/function.py

@@ -27,33 +27,19 @@ class Settings(object):
 
 
 class Operator(metaclass=ABCMeta):
-    """The Operator metaclass.
-
-    This defines all functions that the integrator needs to operate.
+    """Abstract class defining all methods needed for the integrator.
 
     Attributes
     ----------
     settings : Settings
         Settings object.
-    """
 
+    """
     def __init__(self, settings):
         self.settings = settings
 
     @abstractmethod
-    def initial_condition(self):
-        """Performs final setup and returns initial condition.
-
-        Returns
-        -------
-        list of numpy.array
-            Total density for initial conditions.
-        """
-
-        pass
-
-    @abstractmethod
-    def eval(self, vec, print_out=True):
+    def __call__(self, vec, print_out=True):
         """Runs a simulation.
 
         Parameters
@@ -72,6 +58,17 @@ class Operator(metaclass=ABCMeta):
         seed : int
             Seed for this simulation.
         """
+        pass
+
+    @abstractmethod
+    def initial_condition(self):
+        """Performs final setup and returns initial condition.
+
+        Returns
+        -------
+        list of numpy.array
+            Total density for initial conditions.
+        """
 
         pass
 
@@ -114,3 +111,7 @@ class Operator(metaclass=ABCMeta):
         """
 
         pass
+
+    @abstractmethod
+    def finalize(self):
+        pass

openmc/deplete/integrator/cecm.py

@@ -62,7 +62,7 @@ def cecm(operator, print_out=True):
         eigvls = []
         rates_array = []
 
-        eigvl, rates, seed = operator.eval(x[0])
+        eigvl, rates, seed = operator(x[0])
 
         eigvls.append(eigvl)
         seeds.append(seed)
@@ -86,7 +86,7 @@ def cecm(operator, print_out=True):
 
         x.append(x_result)
 
-        eigvl, rates, seed = operator.eval(x[1])
+        eigvl, rates, seed = operator(x[1])
 
         eigvls.append(eigvl)
         seeds.append(seed)
@@ -119,7 +119,7 @@ def cecm(operator, print_out=True):
     seeds = []
     eigvls = []
     rates_array = []
-    eigvl, rates, seed = operator.eval(x[0])
+    eigvl, rates, seed = operator(x[0])
 
     eigvls.append(eigvl)
     seeds.append(seed)

openmc/deplete/integrator/predictor.py

@@ -53,7 +53,7 @@ def predictor(operator, print_out=True):
         eigvls = []
         rates_array = []
 
-        eigvl, rates, seed = operator.eval(x[0])
+        eigvl, rates, seed = operator(x[0])
 
         eigvls.append(eigvl)
         seeds.append(seed)
@@ -86,7 +86,7 @@ def predictor(operator, print_out=True):
     seeds = []
     eigvls = []
     rates_array = []
-    eigvl, rates, seed = operator.eval(x[0])
+    eigvl, rates, seed = operator(x[0])
 
     eigvls.append(eigvl)
     seeds.append(seed)

openmc/deplete/openmc_wrapper.py

@@ -207,6 +207,58 @@ class OpenMCOperator(Operator):
         # Create reaction rate tables
         self.initialize_reaction_rates()
 
+    def __call__(self, vec, print_out=True):
+        """Runs a simulation.
+
+        Parameters
+        ----------
+        vec : list of numpy.array
+            Total atoms to be used in function.
+        print_out : bool, optional
+            Whether or not to print out time.
+
+        Returns
+        -------
+        mat : list of scipy.sparse.csr_matrix
+            Matrices for the next step.
+        k : float
+            Eigenvalue of the problem.
+        rates : openmc.deplete.ReactionRates
+            Reaction rates from this simulation.
+        seed : int
+            Seed for this simulation.
+        """
+
+        # Prevent OpenMC from complaining about re-creating tallies
+        openmc.reset_auto_ids()
+
+        # Update status
+        self.set_density(vec)
+
+        time_start = time.time()
+
+        # Update material compositions and tally nuclides
+        self._update_materials()
+        openmc.capi.tallies[1].nuclides = self._get_tally_nuclides()
+
+        # Run OpenMC
+        openmc.capi.reset()
+        openmc.capi.run()
+
+        time_openmc = time.time()
+
+        # Extract results
+        k = self.unpack_tallies_and_normalize()
+
+        if comm.rank == 0:
+            time_unpack = time.time()
+
+            if print_out:
+                print("Time to openmc: ", time_openmc - time_start)
+                print("Time to unpack: ", time_unpack - time_openmc)
+
+        return k, copy.deepcopy(self.reaction_rates), self.seed
+
     def extract_mat_ids(self):
         """Extracts materials and assigns them to processes.
 
@@ -365,58 +417,6 @@ class OpenMCOperator(Operator):
 
         self.chain.nuc_to_react_ind = self.burn_nuc_to_ind
 
-    def eval(self, vec, print_out=True):
-        """Runs a simulation.
-
-        Parameters
-        ----------
-        vec : list of numpy.array
-            Total atoms to be used in function.
-        print_out : bool, optional
-            Whether or not to print out time.
-
-        Returns
-        -------
-        mat : list of scipy.sparse.csr_matrix
-            Matrices for the next step.
-        k : float
-            Eigenvalue of the problem.
-        rates : openmc.deplete.ReactionRates
-            Reaction rates from this simulation.
-        seed : int
-            Seed for this simulation.
-        """
-
-        # Prevent OpenMC from complaining about re-creating tallies
-        openmc.reset_auto_ids()
-
-        # Update status
-        self.set_density(vec)
-
-        time_start = time.time()
-
-        # Update material compositions and tally nuclides
-        self._update_materials()
-        openmc.capi.tallies[1].nuclides = self._get_tally_nuclides()
-
-        # Run OpenMC
-        openmc.capi.reset()
-        openmc.capi.run()
-
-        time_openmc = time.time()
-
-        # Extract results
-        k = self.unpack_tallies_and_normalize()
-
-        if comm.rank == 0:
-            time_unpack = time.time()
-
-            if print_out:
-                print("Time to openmc: ", time_openmc - time_start)
-                print("Time to unpack: ", time_unpack - time_openmc)
-
-        return k, copy.deepcopy(self.reaction_rates), self.seed
-
     def form_matrix(self, y, mat):
         """Forms the depletion matrix.
 

tests/dummy_geometry.py

@@ -21,14 +21,7 @@ class DummyGeometry(Operator):
     def __init__(self, settings):
         super().__init__(settings)
 
-    def finalize(self):
-        pass
-
-    @property
-    def chain(self):
-        return self
-
-    def eval(self, vec, print_out=False):
+    def __call__(self, vec, print_out=False):
         """Evaluates F(y)
 
         Parameters
@@ -60,6 +53,13 @@ class DummyGeometry(Operator):
         # Create a fake rates object
         return 0.0, reaction_rates, 0
 
+    def finalize(self):
+        pass
+
+    @property
+    def chain(self):
+        return self
+
     def form_matrix(self, rates):
         """Forms the f(y) matrix in y' = f(y)y.
 

tests/unit_tests/test_deplete_predictor.py

@@ -11,7 +11,7 @@ from openmc.deplete import utilities
 from tests import dummy_geometry
 
 
-def test_predictor():
+def test_predictor(run_in_tmpdir):
     """Integral regression test of integrator algorithm using predictor/corrector"""
 
     settings = openmc.deplete.Settings()